HRID1203344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7969

Benzenethiol

C6H6S

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

HCID69070098

未命名化合物

PRODUCTS

生成物

HCID69063846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f663782ccef4489ac58262e26a9ad4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N:18]([S:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[N+:26]([O-:27])=[O:28])(=[O:29])=[O:30])[CH3:31])[c:7]([NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:8][cH:9]1)=[O:32].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[K+:37].[K+:38].[OH2:46].[SH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:18][CH3:31])[c:7]([NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:8][cH:9]1)=[O:32]